BioLiP

PDB

BioLiP

PDB CCD ID:

XSN

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1

InChIKey:

PMLJIHNCYNOQEQ-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C([C@@H](C(=O)N)N)C(=O)O
ACDLabs 12.01	O=C(N)C(N)CC(=O)O
CACTVS 3.370	N[C@@H](CC(O)=O)C(N)=O
CACTVS 3.370	N[CH](CC(O)=O)C(N)=O
OpenEye OEToolkits 1.7.2	C(C(C(=O)N)N)C(=O)O

Name:

L-alpha-asparagine

ZINC:

ZINC000002516163

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).